Abstract
AbstractCrystallographic theory based on energy minimization suggests austenite-twinned martensite interfaces with specific orientation, which are confirmed experimentally for various materials. Pressure-induced phase transformation (PT) from semiconducting Si-I to metallic Si-II, due to very large and anisotropic transformation strain, may challenge this theory. Here, unexpected nanostructure evolution during Si-I → Si-II PT is revealed by combining molecular dynamics (MD), crystallographic theory, generalized for strained crystals, and in situ real-time Laue X-ray diffraction (XRD). Twinned Si-II, consisting of two martensitic variants, and unexpected nanobands, consisting of alternating strongly deformed and rotated residual Si-I and third variant of Si-II, form $$\{111\}$$
{
111
}
interface with Si-I and produce almost self-accommodated nanostructure despite the large transformation volumetric strain of $$-0.237$$
−
0.237
. The interfacial bands arrest the $$\{111\}$$
{
111
}
interfaces, leading to repeating nucleation-growth-arrest process and to growth by propagating $$\{110\}$$
{
110
}
interface, which (as well as $$\{111\}$$
{
111
}
interface) do not appear in traditional crystallographic theory.
Funder
National Science Foundation
United States Department of Defense | United States Navy | Office of Naval Research
Iowa State University, Vance Coffman Faculty Chair Professorship
National Science Foundation of China | National Natural Science Foundation of China-Yunnan Joint Fund
High Pressure Collaborative Access Team (HPCAT) (Sector 16), Advanced Photon Source (APS), Argonne National Laboratory
Publisher
Springer Science and Business Media LLC
Subject
General Physics and Astronomy,General Biochemistry, Genetics and Molecular Biology,General Chemistry,Multidisciplinary
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